8-(3-methyl-1,2-thiazol-5-yl)-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine

C20H28N2S — CID 67690523

IUPAC8-(3-methyl-1,2-thiazol-5-yl)-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCCCN(CCC)C1CCc2cccc(-c3cc(C)ns3)c2C1
InChIInChI=1S/C20H28N2S/c1-4-11-22(12-5-2)17-10-9-16-7-6-8-18(19(16)14-17)20-13-15(3)21-23-20/h6-8,13,17H,4-5,9-12,14H2,1-3H3
InChIKeyUFHUXPKITVIMET-UHFFFAOYSA-N
MW328.53 g/mol
LogP5.10
Rot. Bonds6

About 8-(3-methyl-1,2-thiazol-5-yl)-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine

8-(3-methyl-1,2-thiazol-5-yl)-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 67690523) has the molecular formula C20H28N2S and a molecular weight of 328.53 g/mol. Its IUPAC name is 8-(3-methyl-1,2-thiazol-5-yl)-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name8-(3-methyl-1,2-thiazol-5-yl)-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID67690523
Molecular FormulaC20H28N2S
Molecular Weight328.53 g/mol
Exact Mass328.20
IUPAC Name8-(3-methyl-1,2-thiazol-5-yl)-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESCCCN(CCC)C1CCc2cccc(-c3cc(C)ns3)c2C1
InChIInChI=1S/C20H28N2S/c1-4-11-22(12-5-2)17-10-9-16-7-6-8-18(19(16)14-17)20-13-15(3)21-23-20/h6-8,13,17H,4-5,9-12,14H2,1-3H3
InChIKeyUFHUXPKITVIMET-UHFFFAOYSA-N
XLogP5.10
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.53
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(3-methyl-1,2-thiazol-5-yl)-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of 8-(3-methyl-1,2-thiazol-5-yl)-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine (CID 67690523) is 8-(3-methyl-1,2-thiazol-5-yl)-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for 8-(3-methyl-1,2-thiazol-5-yl)-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for 8-(3-methyl-1,2-thiazol-5-yl)-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine is CCCN(CCC)C1CCc2cccc(-c3cc(C)ns3)c2C1.
What is the InChIKey of 8-(3-methyl-1,2-thiazol-5-yl)-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is UFHUXPKITVIMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2S/c1-4-11-22(12-5-2)17-10-9-16-7-6-8-18(19(16)14-17)20-13-15(3)21-23-20/h6-8,13,17H,4-5,9-12,14H2,1-3H3.
What are the key properties of 8-(3-methyl-1,2-thiazol-5-yl)-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine?
8-(3-methyl-1,2-thiazol-5-yl)-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 328.53 g/mol, XLogP of 5.10, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-methyl-1,2-thiazol-5-yl)-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 67690523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).